# automatically generated by g-sorcery
# please do not edit this file

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="${PV}"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python{3_11,3_12,3_13,3_14} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="Oloren ChemEngine is a library for molecular property prediction, uncertainty quantification and interpretability. It includes 50+ models and molecular representations under a unified API, which achieves state-of-the-art performances on a variety of molecular property prediction tasks. The diversity of models and representations is achieved by integrating all top-performing methods in the literature as well an in-house methods."

HOMEPAGE="https://github.com/Oloren-AI/olorenchemengine"
LICENSE=""
SRC_URI="https://files.pythonhosted.org/packages/source/${REALNAME::1}/${REALNAME}/${REALNAME}-${REALVERSION}.tar.gz"
SOURCEFILE="${REALNAME}-${REALVERSION}.tar.gz"
RESTRICT="test"

SLOT="0"
KEYWORDS="~amd64 ~x86"

IUSE="full testing"
DEPENDENCIES="dev-python/ipython[${PYTHON_USEDEP}]
	dev-python/typing-extensions[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/google-cloud-firestore[${PYTHON_USEDEP}]
	dev-python/Pyrebase4[${PYTHON_USEDEP}]
	full? ( dev-python/ipython[${PYTHON_USEDEP}] )
	full? ( dev-python/typing-extensions[${PYTHON_USEDEP}] )
	full? ( dev-python/pandas[${PYTHON_USEDEP}] )
	full? ( dev-python/google-cloud-firestore[${PYTHON_USEDEP}] )
	full? ( dev-python/Pyrebase4[${PYTHON_USEDEP}] )
	full? ( <dev-python/google-auth-oauthlib-0.5[${PYTHON_USEDEP}] )
	full? ( dev-python/pytorch-lightning[${PYTHON_USEDEP}] )
	full? ( dev-python/cython[${PYTHON_USEDEP}] )
	full? ( dev-python/gspread[${PYTHON_USEDEP}] )
	full? ( ~dev-python/scikit-learn-1.2.2[${PYTHON_USEDEP}] )
	full? ( dev-python/descriptastorus[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	full? ( dev-python/firebase-admin[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest-timeout[${PYTHON_USEDEP}] )
	full? ( dev-python/sphinx[${PYTHON_USEDEP}] )
	full? ( dev-python/furo[${PYTHON_USEDEP}] )
	full? ( dev-python/hyperopt[${PYTHON_USEDEP}] )
	full? ( dev-python/google-cloud-storage[${PYTHON_USEDEP}] )
	full? ( dev-python/gcsfs[${PYTHON_USEDEP}] )
	full? ( dev-python/ogb[${PYTHON_USEDEP}] )
	full? ( dev-python/plotly[${PYTHON_USEDEP}] )
	full? ( dev-python/xgboost[${PYTHON_USEDEP}] )
	full? ( ~dev-python/protobuf-3.20.1[${PYTHON_USEDEP}] )
	full? ( dev-python/pytorch-lightning[${PYTHON_USEDEP}] )
	full? ( dev-python/torchmetrics[${PYTHON_USEDEP}] )
	full? ( dev-python/tensorboard[${PYTHON_USEDEP}] )
	full? ( dev-python/PubChemPy[${PYTHON_USEDEP}] )
	full? ( dev-python/gensim[${PYTHON_USEDEP}] )
	full? ( dev-python/mordred[${PYTHON_USEDEP}] )
	full? ( dev-python/selfies[${PYTHON_USEDEP}] )
	testing? ( dev-python/setuptools[${PYTHON_USEDEP}] )
	testing? ( dev-python/pytest[${PYTHON_USEDEP}] )
	testing? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"